2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide

C13H18Cl2N2O3S — CID 65388491

IUPAC2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-5-13(2,3)17(4)12(18)9-6-8(21(16,19)20)7-10(14)11(9)15/h6-7H,5H2,1-4H3,(H2,16,19,20)
InChIKeyVEWJJBOOECLGFE-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.90
Rot. Bonds4

About 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide

2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65388491) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
PubChem CID65388491
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-5-13(2,3)17(4)12(18)9-6-8(21(16,19)20)7-10(14)11(9)15/h6-7H,5H2,1-4H3,(H2,16,19,20)
InChIKeyVEWJJBOOECLGFE-UHFFFAOYSA-N
XLogP2.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 107100677
3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371289
3,4-difluoro-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 65398604
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
5-bromo-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65387143
3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
CID 65371801
1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612371
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788
3,4-dichloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372826
2,3-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-nitrobenzamide
CID 107189429
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide (CID 65388491) is 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide is CCC(C)(C)N(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is VEWJJBOOECLGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-5-13(2,3)17(4)12(18)9-6-8(21(16,19)20)7-10(14)11(9)15/h6-7H,5H2,1-4H3,(H2,16,19,20).
What are the key properties of 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide?
2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 353.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).